N-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C22H21F2N5O2 — CID 58374847

IUPACN-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C22H21F2N5O2/c23-22(24)10-12-28(13-11-22)20(31)16-8-4-14(5-9-16)17-2-1-3-18-25-21(27-29(17)18)26-19(30)15-6-7-15/h1-5,8-9,15H,6-7,10-13H2,(H,26,27,30)
InChIKeyUVEOCFIRZHIOLL-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.62
Rot. Bonds4

About N-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374847) has the molecular formula C22H21F2N5O2 and a molecular weight of 425.44 g/mol. Its IUPAC name is N-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374847
Molecular FormulaC22H21F2N5O2
Molecular Weight425.44 g/mol
Exact Mass425.17
IUPAC NameN-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C22H21F2N5O2/c23-22(24)10-12-28(13-11-22)20(31)16-8-4-14(5-9-16)17-2-1-3-18-25-21(27-29(17)18)26-19(30)15-6-7-15/h1-5,8-9,15H,6-7,10-13H2,(H,26,27,30)
InChIKeyUVEOCFIRZHIOLL-UHFFFAOYSA-N
XLogP3.62
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374847) is N-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is UVEOCFIRZHIOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O2/c23-22(24)10-12-28(13-11-22)20(31)16-8-4-14(5-9-16)17-2-1-3-18-25-21(27-29(17)18)26-19(30)15-6-7-15/h1-5,8-9,15H,6-7,10-13H2,(H,26,27,30).
What are the key properties of N-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 425.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).